2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-nitro-phenyl)acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-nitrophenyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-nitrophenyl)acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-nitro-phenyl)acetamide Formula: C14H16ClN5O4S MolecularWeight: 385.82594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H16ClN5O4S/c1-2-3-6-19-13(22)17-18-14(19)25-8-12(21)16-11-7-9(20(23)24)4-5-10(11)15/h4-5,7H,2-3,6,8H2,1H3,(H,16,21)(H,17,22)